[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid

C14H16N3O4P — CID 25029959

IUPAC[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2cnccc21
InChIInChI=1S/C14H16N3O4P/c1-9(2)8-17-11-5-6-15-7-10(11)16-14(17)12-3-4-13(21-12)22(18,19)20/h3-7,9H,8H2,1-2H3,(H2,18,19,20)
InChIKeyGZGWOJOEVYIUEC-UHFFFAOYSA-N
MW321.27 g/mol
LogP2.15
Rot. Bonds4

About [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid

[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid (PubChem CID 25029959) has the molecular formula C14H16N3O4P and a molecular weight of 321.27 g/mol. Its IUPAC name is [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid
PubChem CID25029959
Molecular FormulaC14H16N3O4P
Molecular Weight321.27 g/mol
Exact Mass321.09
IUPAC Name[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2cnccc21
InChIInChI=1S/C14H16N3O4P/c1-9(2)8-17-11-5-6-15-7-10(11)16-14(17)12-3-4-13(21-12)22(18,19)20/h3-7,9H,8H2,1-2H3,(H2,18,19,20)
InChIKeyGZGWOJOEVYIUEC-UHFFFAOYSA-N
XLogP2.15
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459964
[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459930
[5-[4-amino-5-chloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 44627038
[5-[4-amino-5,7-dibromo-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 44627140
[5-(1-pyridin-4-ylbenzimidazol-2-yl)furan-2-yl]phosphonic acid
CID 22459942
[5-[4-amino-7-[3-(dimethylamino)propyl]-5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 44627481
[5-[1-(4-aminobutyl)-6-chlorobenzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459906
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate
CID 70344895
1-ethyl-2-methylimidazo[4,5-c]pyridine
CID 147300637
2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375889
1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine
CID 676618

Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid?
The IUPAC name of [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid (CID 25029959) is [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid?
The canonical SMILES for [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid is CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2cnccc21.
What is the InChIKey of [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid?
The InChIKey is GZGWOJOEVYIUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N3O4P/c1-9(2)8-17-11-5-6-15-7-10(11)16-14(17)12-3-4-13(21-12)22(18,19)20/h3-7,9H,8H2,1-2H3,(H2,18,19,20).
What are the key properties of [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid?
[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid has a molecular weight of 321.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid is sourced from PubChem (CID 25029959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).